Geometry & MOs

Info

ID:	72480
PubChem CID:	48416221
Reduced:	SN2O4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	359.153286
ΔH_f, kcal/mol:	-107.87
Dipole, Da:	3.9
IP(EA), eV:	-8.75(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[(4-fluorobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CC3=C(C=C2)N=CS3)C(=O)OC

DOS

IR

Vibrations